4-[(E)-3-(4-hydroxyphenyl)-2-methyl-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrate

Systemtic Name: 4-[(E)-3-(4-hydroxyphenyl)-2-methyl-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrate Openeye Name: 4-[(E)-3-(4-hydroxyphenyl)-2-methyl-3-oxo-prop-1-enyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrate CAS Name: 4-[(E)-3-(4-hydroxyphenyl)-2-methyl-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenyl-3-pyrazolone hydrate IUPAC Name: 4-[(E)-3-(4-hydroxyphenyl)-2-methyl-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one hydrate Traditional Name: 4-[(E)-3-(4-hydroxyphenyl)-3-keto-2-methyl-prop-1-enyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one hydrate Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C(C)C(=O)C3=CC=C(C=C3)O.O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C(\C)/C(=O)C3=CC=C(C=C3)O.O

InChI

InChI=1S/C21H20N2O3.H2O/c1-14(20(25)16-9-11-18(24)12-10-16)13-19-15(2)22(3)23(21(19)26)17-7-5-4-6-8-17;/h4-13,24H,1-3H3;1H2/b14-13+;